Basic information
- CAS
21464-76-6- Standard SMILES
CCC1OCCC(C)O1- InChIKey
USYYVXJHBFSXQW-UHFFFAOYSA-N- Molecular formula
- C7H14O2
- Average molar mass
- 130.18 g/mol
- Monoisotopic mass
- 130.09937969
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2-ethyl-4-methyl-
- IUPAC
- 2-ethyl-4-methyl-1,3-dioxane
- English name
- Methyl anthranilate/lyral
- Molecular formula
- C7H14O2
- Molecular weight
- 130.18
Names & synonyms
1,3-Dioxane, 2-ethyl-4-methyl-21464-76-6Propionaldehyde-1,3-butylene glycol acetalDTXSID70884798RefChem:414751DTXCID5010242202-ethyl-4-methyl-1,3-dioxaneMETHYL ANTHRANILATE/LYRALSCHEMBL8533836USYYVXJHBFSXQW-UHFFFAOYSA-N
Database identifiers
- CAS
21464-76-6- PubChem CID
- 89501
- DTXSID
DTXSID70884798- Nikkaji
- J422.087K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Boiling point
- 139 °C · 139 °C
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2-ethyl-4-methyl- (21464-76-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Dioxane, 2-ethyl-4-methyl-: INACTIVE
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
PENTA[email protected]
Penta International Corporation[email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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